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PDB: 40966 results

7UGE
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BU of 7uge by Molmil
Bromodomain of CBP liganded with BMS-536924
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UGI
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BU of 7ugi by Molmil
Bromodomain of EP300 liganded with BMS-536924
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
8RE3
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BU of 8re3 by Molmil
Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) mutant M190G from Deinoccoccus radiodurans
Descriptor: CALCIUM ION, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Salgueiro, B.A, Frade, K, Frazao, C, Matias, P, Moe, E.
Deposit date:2023-12-10
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
8RE2
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BU of 8re2 by Molmil
Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) from Deinoccoccus radiodurans
Descriptor: GLYCEROL, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Salgueiro, B.A, Frade, K, Frazao, C, Moe, E.
Deposit date:2023-12-10
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
7UOD
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BU of 7uod by Molmil
Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with 2,4-dichloro-phenoxyacetic acid
Descriptor: (2,4-DICHLOROPHENOXY)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Sousa, J.P, Bezerra, E.H.S, Sales, M.V, Queiroz, P.P, da Silva, F.M.S, Carvalho, C.P.S, Freire, V.N, Rocha, B.A.M.
Deposit date:2022-04-12
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of Canavalia maritima lectin complexed with auxins
To Be Published
7UGL
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BU of 7ugl by Molmil
Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
1WAP
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BU of 1wap by Molmil
TRP RNA-BINDING ATTENUATION PROTEIN IN COMPLEX WITH L-TRYPTOPHAN
Descriptor: TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN
Authors:Antson, A.A, Dodson, E.J, Gollnick, P.
Deposit date:1995-02-03
Release date:1995-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of trp RNA-binding attenuation protein.
Nature, 374, 1995
7UFY
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BU of 7ufy by Molmil
Crystal structure of TDP1 complexed with compound XZ766
Descriptor: 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-03-23
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
3M1A
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BU of 3m1a by Molmil
The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
Descriptor: ACETATE ION, Putative dehydrogenase, SODIUM ION
Authors:Stein, A.J, Evdokimova, E, Egorova, O, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-04
Release date:2010-03-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A
To be Published
5SYF
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BU of 5syf by Molmil
High-resolution cryo-EM reconstruction of Taxol-stabilized microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kellogg, E.H, Nogales, E.
Deposit date:2016-08-11
Release date:2017-02-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Insights into the Distinct Mechanisms of Action of Taxane and Non-Taxane Microtubule Stabilizers from Cryo-EM Structures.
J. Mol. Biol., 429, 2017
5DJ5
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BU of 5dj5 by Molmil
Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24
Descriptor: (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14
Authors:Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3.
Cell Res., 25, 2015
6B04
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BU of 6b04 by Molmil
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b)
Descriptor: 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, Farnesyl diphosphate synthase, ...
Authors:Picard, M.-E, Cusson, M, Shi, R.
Deposit date:2017-09-13
Release date:2017-12-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
4TT2
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BU of 4tt2 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4K5Ac
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4RM8
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BU of 4rm8 by Molmil
Crystal structure of human ezrin in space group P21
Descriptor: Ezrin
Authors:Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
Deposit date:2014-10-20
Release date:2015-12-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
3PSR
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BU of 3psr by Molmil
HUMAN PSORIASIN (S100A7) CA2+ BOUND FORM (CRYSTAL FORM I)
Descriptor: CALCIUM ION, PSORIASIN, ZINC ION
Authors:Brodersen, D.E, Nyborg, J, Kjeldgaard, M.
Deposit date:1998-09-17
Release date:1999-06-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zinc-binding site of an S100 protein revealed. Two crystal structures of Ca2+-bound human psoriasin (S100A7) in the Zn2+-loaded and Zn2+-free states.
Biochemistry, 38, 1999
4RPH
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BU of 4rph by Molmil
Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with substrate UDP-Galp (reduced)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2014-10-30
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues.
J.Am.Chem.Soc., 137, 2015
5KNK
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BU of 5knk by Molmil
Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii with catalytic residue substitution (E127A)
Descriptor: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ...
Authors:Dovala, D.L, Hu, Q, Metzger IV, L.E.
Deposit date:2016-06-28
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
2Q4A
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BU of 2q4a by Molmil
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g21360
Descriptor: Clavaminate synthase-like protein At3g21360, FE (III) ION, SULFATE ION
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
5L5Q
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BU of 5l5q by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone 18
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
1ZTP
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BU of 1ztp by Molmil
X-ray structure of gene product from homo sapiens Hs.433573
Descriptor: Basophilic leukemia expressed protein BLES03
Authors:Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-05-27
Release date:2005-06-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure at 2.5 A resolution of human basophilic leukemia-expressed protein BLES03.
Acta Crystallogr.,Sect.F, 61, 2005
5L66
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BU of 5l66 by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
4BCL
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BU of 4bcl by Molmil
FMO protein from Prosthecochloris aestuarii 2K at Room Temperature
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOCHLOROPHYLL A PROTEIN
Authors:Tronrud, D.E, Matthews, B.W.
Deposit date:1998-04-17
Release date:1998-09-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Refinement of the Structure of a Water-Soluble Antenna Complex from Green Photosynthetic Bacteria by Incorporation of the Chemically Determined Amino Acid Sequence
Photosynthetic Reaction Center, 1, 1993
1E3J
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BU of 1e3j by Molmil
Ketose reductase (sorbitol dehydrogenase) from silverleaf whitefly
Descriptor: BORIC ACID, NADP(H)-DEPENDENT KETOSE REDUCTASE, PHOSPHATE ION, ...
Authors:Banfield, M.J, Salvucci, M.E, Baker, E.N, Smith, C.A.
Deposit date:2000-06-19
Release date:2001-02-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Nadp(H)-Dependent Ketose Reductase from Besimia Argentifolii at 2.3 Angstrom Resolution
J.Mol.Biol., 306, 2001
8UW6
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BU of 8uw6 by Molmil
Acetylornithine deacetylase from Escherichia coli, di-zinc form.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetylornithine deacetylase, ...
Authors:Osipiuk, J, Endres, M, Kelley, E, Becker, D.P, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-11-06
Release date:2024-05-29
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N alpha-acetyl-L-ornithine deacetylase from Escherichia coli and a ninhydrin-based assay to enable inhibitor identification.
Front Chem, 12, 2024
5KRT
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BU of 5krt by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) in Complex with a Fragment-Derived Allosteric Inhibitor
Descriptor: 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid, Integrase
Authors:Patel, D, Bauman, J.D, Arnold, E.
Deposit date:2016-07-07
Release date:2016-09-28
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain.
J.Biol.Chem., 291, 2016

224931

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